4-methylbenzenesulfonate; phenyl-(3-phenyliminocyclohexen-1-yl)azanium

Systemtic Name: 4-methylbenzenesulfonate; phenyl-(3-phenyliminocyclohexen-1-yl)azanium Openeye Name: 4-methylbenzenesulfonate; phenyl-(3-phenyliminocyclohexen-1-yl)ammonium CAS Name: 4-methylbenzenesulfonate; phenyl-(3-phenylimino-1-cyclohexenyl)ammonium IUPAC Name: 4-methylbenzenesulfonate; phenyl-(3-phenyliminocyclohexen-1-yl)azanium Traditional Name: phenyl-(3-phenyliminocyclohexen-1-yl)ammonium tosylate Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(=CC(=NC2=CC=CC=C2)C1)[NH2+]C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(=CC(=NC2=CC=CC=C2)C1)[NH2+]C3=CC=CC=C3

InChI

InChI=1S/C18H18N2.C7H8O3S/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,8-11,14,19H,7,12-13H2;2-5H,1H3,(H,8,9,10)